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Compound Detail

CHEMBL2347995

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CC(C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4c3CC(C)(C)CC4)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2347995
Phase Preclinical
Structure Type MOL
InChI Key ZXXNBFFJFLSAHW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.01
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N6O
MW 366.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.74

Activity Summary

IC50 2 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 6.88 6.505 132.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 132.0 nM 6.88 Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) u... 23350847
Tyrosine-protein kinase SYK IC50 = 738.0 nM 6.13 Inhibition of SYK in human Ramos cells 23350847

Literature References

PubMed DOI Target Context # Activities
23350847 10.1021/jm301720p Liver microsomes 2
23350847 10.1021/jm301720p Tyrosine-protein kinase SYK 2
23350847 10.1021/jm301720p No relevant target 1

Data from ChEMBL 36 via Core Engine